CID 20836261

1-(3-(4-methoxyphenyl)-1-oxo-2-butenyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C/C(=C/C(=O)N1CCN(CC1)C2=CC=CC=C2)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H24N2O2/c1-17(18-8-10-20(25-2)11-9-18)16-21(24)23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3/b17-16-
InChIKey
QGQKEZKLTUBLML-MSUUIHNZSA-N
Compound name
(Z)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 183.0
[M+Na]+ 359.17300 186.5
[M-H]- 335.17650 188.5
[M+NH4]+ 354.21760 192.8
[M+K]+ 375.14694 181.4
[M+H-H2O]+ 319.18104 171.8
[M+HCOO]- 381.18198 198.0
[M+CH3COO]- 395.19763 210.4
[M+Na-2H]- 357.15845 183.0
[M]+ 336.18323 179.2
[M]- 336.18433 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.